ATOM 29
1 C8x C 10.9900 -17.3600
2 C8x C 10.9900 -18.7600
3 C8x C 12.1800 -19.4600
4 C8x C 13.4400 -18.7600
5 C8y C 13.4400 -17.3600
6 C8x C 12.1800 -16.6600
7 C1y C 17.2200 -17.3600
8 C1z C 15.3300 -16.3100
9 C1x C 17.2200 -18.7600
10 C1x C 18.4100 -19.4600
11 N1y N 19.6700 -18.7600
12 C1x C 19.6700 -17.3600
13 C1x C 18.4100 -16.6600
14 C1b C 20.8600 -19.4600
15 C2b C 22.1200 -18.7600
16 C2b C 23.3100 -19.4600
17 C8y C 24.5000 -18.7600
18 C8x C 25.6900 -19.4600
19 C8x C 26.9500 -18.7600
20 C8x C 26.9500 -17.3600
21 C8x C 25.7600 -16.6600
22 C8x C 24.5000 -17.3600
23 N1x N 14.1400 -14.2100
24 C5x C 14.1400 -15.6100
25 C1x C 16.5900 -15.6100
26 C1x C 16.5900 -14.2100
27 C5x C 15.3300 -13.5100
28 O5x O 12.9247 -16.3051
29 O5x O 15.3128 -12.1101
BOND 32
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 1
8 5 8 1
9 7 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 7 13 1
15 11 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 23 24 1
26 24 8 1
27 8 25 1
28 25 26 1
29 26 27 1
30 23 27 1
31 24 28 2
32 27 29 2
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